2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one

C16H24O3 — CID 116709705

IUPAC2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
SMILESCOC(C(=O)c1ccc(OC(C)C)cc1)C(C)(C)C
InChIInChI=1S/C16H24O3/c1-11(2)19-13-9-7-12(8-10-13)14(17)15(18-6)16(3,4)5/h7-11,15H,1-6H3
InChIKeyCOBLHDDKGYHILV-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.72
Rot. Bonds5

About 2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one

2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one (PubChem CID 116709705) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
PubChem CID116709705
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
SMILESCOC(C(=O)c1ccc(OC(C)C)cc1)C(C)(C)C
InChIInChI=1S/C16H24O3/c1-11(2)19-13-9-7-12(8-10-13)14(17)15(18-6)16(3,4)5/h7-11,15H,1-6H3
InChIKeyCOBLHDDKGYHILV-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 22111343
2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
CID 62961699
2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116918210
2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 114037996
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 116710279
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116709920
2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 116557003
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252
2-oxo-2-(4-propan-2-yloxyphenyl)acetamide
CID 116924444
1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one
CID 64640564

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one (CID 116709705) is 2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one is COC(C(=O)c1ccc(OC(C)C)cc1)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one?
The InChIKey is COBLHDDKGYHILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11(2)19-13-9-7-12(8-10-13)14(17)15(18-6)16(3,4)5/h7-11,15H,1-6H3.
What are the key properties of 2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one?
2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one has a molecular weight of 264.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one is sourced from PubChem (CID 116709705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).